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| CAS No.: | 4998-57-6 |
|---|---|
| Name: | DL-Histidine |
| Article Data: | 74 |
| Molecular Structure: | |
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|
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| Formula: | C6H9N3O2 |
| Molecular Weight: | 155.156 |
| Synonyms: | Histidine, DL- (8CI);1H-Imidazole-4-alanine;Histidine; |
| EINECS: | 225-660-9 |
| Density: | 1.424 g/cm3 |
| Melting Point: | 273 °C (dec.)(lit.) |
| Boiling Point: | 458.9 °C at 760 mmHg |
| Flash Point: | 231.3 °C |
| Appearance: | white to slightly yellow crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 22-24/25-36/37-26 |
| PSA: | 92.00000 |
| LogP: | 0.06440 |
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Specification
The CAS registry number of DL-Histidine is 4998-57-6. Its EINECS registry number is 225-660-9. The IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propanoic acid. In addition, the molecular formula is C6H9N3O2 and the molecular weight is 155.15. What's more, it is a kind of white to slightly yellow crystalline powder and belongs to the classes of alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids. And it it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 4; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 92 Å2; (9)Index of Refraction: 1.615; (10)Molar Refractivity: 38.018 cm3; (11)Molar Volume: 108.983 cm3; (12)Polarizability: 15.071 ×10-24cm3; (13)Surface Tension: 79.69 dyne/cm; (14)Density: 1.424 g/cm3; (15)Flash Point: 231.318 °C; (16)Enthalpy of Vaporization: 75.788 kJ/mol; (17)Boiling Point: 458.872 °C at 760 mmHg.
Preparation of DL-Histidine: it can be prepared by acetyl-DL-Histidine by refluxing for several hours in hydrochloric acid solution. The acetyl-DL-Histidine can be prepared by L-histidinehydrochloride and ethanoic anhydride through acylation reaction.
Uses of DL-Histidine: it can be used for biochemical research. And it can react with di-pyridin-2-yl-methanone to get 1-(2'-Pyridyl)-3-(3'-imidazoylmethyl)-2-azaindolizine. This reaction will need solvent methanol. The reaction time is 12 hours by heating. The yield is about 30%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing and gloves and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, you should not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c([nH]cn1)CC(C(=O)O)N
(2)InChI: InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,
(H,8,9)(H,10,11)
(3)InChIKey: HNDVDQJCIGZPNO-UHFFFAOYAG